SCHEMBL13993135

SCHEMBL13993135

COC(=O)CCCNC(=O)C(=O)CSC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.47
▸ EPHX2 P34913 6/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PLA2G4A P47712 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TET2 Q6N021 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13286569 0.80 TSHR (0.52) TSHREPHX2ALDH1A1SMN1; SMN2PLA2G4A
SCHEMBL21538522 0.75 TSHR (0.61) TSHREPHX2ALDH1A1SMN1; SMN2RECQL
SCHEMBL13991881 0.72 EPHX2 (0.44) TSHREPHX2ALDH1A1SMN1; SMN2PLA2G4A
SCHEMBL407248 0.71 TSHR (0.61) TSHREPHX2ALDH1A1SMN1; SMN2LMNA
SCHEMBL13993133 0.71 TSHR (0.45) TSHREPHX2ALDH1A1SMN1; SMN2LMNA
SCHEMBL18768785 0.71 TSHR (0.54) TSHREPHX2ALDH1A1SMN1; SMN2RECQL
SCHEMBL18525833 0.70 EPHX1 (0.61) TSHREPHX2ALDH1A1RECQLLMNA
SCHEMBL7670643 0.70 TSHR (0.58) TSHREPHX2ALDH1A1SMN1; SMN2RECQL
SCHEMBL15044413 0.70 TSHR (0.58) TSHREPHX2ALDH1A1SMN1; SMN2LMNA
SCHEMBL6581647 0.69 TET2 (0.53) TSHREPHX2ALDH1A1RECQLLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319065-A1 Systemic and Intrathecal Effects of a Novel Series of Phospholipase A2 Inhibitors on Hyperalgesia and Spinal Pge2 Release THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-12-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080319065-A1 Systemic and Intrathecal Effects of a Novel Series of Phospholipase A2 Inhibitors on Hyperalgesia and Spinal Pge2 Release PLA2G4A, PLA2G4B, PLA2G2A TSHR 4228/4885EPHX2 140/4885ALDH1A1 3131/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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